N-(3-ethylphenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(3-ethylphenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(3-ethylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(3-ethylphenyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3-ethylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(3-ethylphenyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C21H22N4O2S/c1-3-15-5-4-6-18(13-15)24-20(27)16-7-9-17(10-8-16)23-19(26)14-28-21-22-11-12-25(21)2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)